SCHEMBL9871901

SCHEMBL9871901

CC1(C)COC(C)(CCCc2ccc(Br)cc2)N1C(=O)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.42
TBXAS1 P24557 5/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21067 0.90 HMOX1 (0.40) HMOX1
SCHEMBL6048041 0.89 HMOX1 (0.40) HMOX1
Fumaric Acid SCHEMBL28799633 0.85 HMOX1 (0.37) HMOX1TBXAS1
Fumaric Acid SCHEMBL30175804 0.85 HMOX1 (0.37) HMOX1TBXAS1
SCHEMBL9367613 0.80 HMOX1 (0.40) HMOX1TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9871900 0.75 FAAH (0.34) HMOX1CYP19A1FAAHMGLL
SCHEMBL9367733 0.69 HMOX1 (0.38) HMOX1
SCHEMBL8100581 0.69 NAAA (0.38)
SCHEMBL9274736 0.65 USP2 (0.36) CYP19A1FAAHMGLL
SCHEMBL10943873 0.63 HMOX1 (0.45) HMOX1TBXAS1CYP19A1CYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061719-A AZOLIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE UBE INDUSTRIES, LTD. (JP) 1991-10-29 US claimed